General Information of the Compound
| Compound ID |
CP0538136
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-4-[[6-(3-chloroanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H11Cl2N5OS
|
||||||||||||||||||
| Molecular Weight |
392.271
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H11Cl2N5OS/c17-10-2-1-3-11(8-10)19-15-22-23-14(20-21-16(23)25-15)7-9-4-5-13(24)12(18)6-9/h1-6,8,24H,7H2,(H,19,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WUCROGHORREYJQ-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound